Ruixuefennnian's starred repositories

bokeh

Interactive Data Visualization in the browser, from Python

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Evolutionary-Algorithm

Evolutionary Algorithm using Python, 莫烦Python 中文AI教学

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pydata-book

Materials and IPython notebooks for "Python for Data Analysis" by Wes McKinney, published by O'Reilly Media

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pydata-book

Materials and IPython notebooks for "Python for Data Analysis" by Wes McKinney, published by O'Reilly Media

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arpeggio

Calculation of interatomic interactions in molecular structures

License:GPL-3.0Stargazers:1Issues:0Issues:0

plip

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294

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arpeggio

Calculation of interatomic interactions in molecular structures

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pv

WebGL protein viewer

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propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

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openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

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rgn

Recurrent Geometric Networks for end-to-end differentiable learning of protein structure

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